Molecule

ID:32378

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁BrN₂O₂
Molecular Mass
389.28624
Exact Mass
388.07863992
Charge
0
InChI
InChI=1S/C19H21BrN2O2/c1-19(2,3)14-9-7-13(8-10-14)18(24)22-16-6-4-5-15(11-16)21-17(23)12-20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKey
YOXCGXISWULJFK-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1cccc(c1)NC(=O)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(=O)(Nc1cc(NC(=O)CBr)ccc1)c1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
Acid pKa
11.741727
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.570736
LogD (pH = 7.4)
4.5707173
Log P
4.5707364
Molar Refractivity
102.8571
Polarizability
37.73214
Polar Surface Area
58.2
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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